1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine

C10H16ClNOS — CID 105135075

IUPAC1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(2)13-6-8(12)5-9-3-4-10(11)14-9/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyIATLVERVGFPXBB-UHFFFAOYSA-N
MW233.76 g/mol
LogP2.70
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine

1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105135075) has the molecular formula C10H16ClNOS and a molecular weight of 233.76 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID105135075
Molecular FormulaC10H16ClNOS
Molecular Weight233.76 g/mol
Exact Mass233.06
IUPAC Name1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(N)Cc1ccc(Cl)s1
InChIInChI=1S/C10H16ClNOS/c1-7(2)13-6-8(12)5-9-3-4-10(11)14-9/h3-4,7-8H,5-6,12H2,1-2H3
InChIKeyIATLVERVGFPXBB-UHFFFAOYSA-N
XLogP2.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.76
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chlorothiophen-2-yl)butan-2-amine;hydrochloride
CID 170888362
1-(5-chlorothiophen-2-yl)-N-ethyl-3-propan-2-yloxypropan-2-amine
CID 105135378
1-(5-chlorothiophen-2-yl)-4,4-dimethylpentan-2-amine
CID 63891076
2-amino-3-(5-chlorothiophen-2-yl)propan-1-ol;hydrochloride
CID 170891756
ethyl 2-amino-3-(5-chlorothiophen-2-yl)propanoate
CID 62962765
1-(5-chlorothiophen-2-yl)-5-ethoxypentan-2-amine
CID 105135317
1-(5-chlorothiophen-2-yl)-5,5,5-trifluoropentan-2-amine
CID 79952579
1-(2-chloro-4-methylphenyl)-3-propan-2-yloxypropan-2-amine
CID 106867926
2-(5-chlorothiophen-2-yl)-1-cyclopropylethanamine
CID 62602598
1-(5-chlorothiophen-2-yl)-3-(3,4-dimethylphenyl)propan-2-amine
CID 62899977
[1-(5-chlorothiophen-2-yl)-3-methylbutan-2-yl]hydrazine
CID 105199674
N-[(5-chlorothiophen-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 62567503

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine (CID 105135075) is 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine is CC(C)OCC(N)Cc1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is IATLVERVGFPXBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClNOS/c1-7(2)13-6-8(12)5-9-3-4-10(11)14-9/h3-4,7-8H,5-6,12H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine?
1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 233.76 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105135075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).